1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea

C24H22N4O2 — CID 135423060

IUPAC1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea
SMILESCCNC(=O)Nc1ccc(/N=C(\c2ccccc2)c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H22N4O2/c1-2-25-24(30)27-18-14-12-17(13-15-18)26-22(16-8-4-3-5-9-16)21-19-10-6-7-11-20(19)28-23(21)29/h3-15,28-29H,2H2,1H3,(H2,25,27,30)/b26-22+
InChIKeyYYLIHWPPZQPMKP-XTCLZLMSSA-N
MW398.47 g/mol
LogP5.18
Rot. Bonds5

About 1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea

1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea (PubChem CID 135423060) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea
PubChem CID135423060
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea
SMILESCCNC(=O)Nc1ccc(/N=C(\c2ccccc2)c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H22N4O2/c1-2-25-24(30)27-18-14-12-17(13-15-18)26-22(16-8-4-3-5-9-16)21-19-10-6-7-11-20(19)28-23(21)29/h3-15,28-29H,2H2,1H3,(H2,25,27,30)/b26-22+
InChIKeyYYLIHWPPZQPMKP-XTCLZLMSSA-N
XLogP5.18
TPSA89.51 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]ethanone
CID 135622117
4-[[(6-ethoxycarbonyl-2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoic acid
CID 135837786
N-[4-[[(2-hydroxy-5-nitro-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
CID 135622191
ethyl 2-[[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]sulfonylamino]acetate
CID 135621997
acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide
CID 135415860
ethyl 3-[N-[4-[2-(ethylamino)ethyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 135837732
ethyl 3-[N-[4-(anilinomethyl)phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 135837985
3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylic acid
CID 137469705
methyl 3-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 135838048
N-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide
CID 135622091
N-[3-[N-[4-(ethylaminomethyl)phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indol-5-yl]ethanesulfonamide
CID 154649076
methyl 2-hydroxy-3-[N-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
CID 135914548

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea?
The IUPAC name of 1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea (CID 135423060) is 1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea is CCNC(=O)Nc1ccc(/N=C(\c2ccccc2)c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of 1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea?
The InChIKey is YYLIHWPPZQPMKP-XTCLZLMSSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-2-25-24(30)27-18-14-12-17(13-15-18)26-22(16-8-4-3-5-9-16)21-19-10-6-7-11-20(19)28-23(21)29/h3-15,28-29H,2H2,1H3,(H2,25,27,30)/b26-22+.
What are the key properties of 1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea?
1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea has a molecular weight of 398.47 g/mol, XLogP of 5.18, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea is sourced from PubChem (CID 135423060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).